Ligand name: (4S)-2-METHYL-2,4-PENTANEDIOL
PDB ligand accession: MPD
DrugBank: DB03564
PubChem: 5288834
ChEMBL: n/a
InChI Key: SVTBMSDMJJWYQN-YFKPBYRVSA-N
SMILES: CC(CC(C)(C)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Alcohols and polyols

List of PDB structures and/or AlphaFold models with target protein Q2G036

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6PMD	Download	Experimental	e6pmdA1 e6pmdB1 e6pmdC1 e6pmdD1 e6pmdE1 e6pmdF1 e6pmdG1 e6pmdI1 e6pmdK1 e6pmdL1 e6pmdM1 e6pmdN1 e6pmdS1 e6pmdT1	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot
8E7P	Download	Experimental	e8e7pA1 e8e7pB1 e8e7pC1 e8e7pD1 e8e7pE1 e8e7pE1 e8e7pF1 e8e7pG1 e8e7pI1 e8e7pK1 e8e7pL1 e8e7pM1 e8e7pN1 e8e7pS1 e8e7pT1	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot
5C90	Download	Experimental	e5c90A1 e5c90B1 e5c90C1 e5c90D1 e5c90E1 e5c90F1 e5c90G1 e5c90H1 e5c90I1 e5c90J1 e5c90K1 e5c90L1 e5c90M1 e5c90N1	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot
8EF8	Download	Experimental	e8ef8A1 e8ef8B1 e8ef8C1 e8ef8D1 e8ef8E1 e8ef8F1 e8ef8G1 e8ef8I1 e8ef8K1 e8ef8L1 e8ef8M1 e8ef8N1 e8ef8S1 e8ef8T1	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot
8E71	Download	Experimental	e8e71A1 e8e71B1 e8e71C1 e8e71D1 e8e71E1 e8e71F1 e8e71G1 e8e71I1 e8e71K1 e8e71L1 e8e71M1 e8e71N1 e8e71S1 e8e71T1 e8e71T1	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot